Aromaticity as the driving force for the stability of non-IPR endohedral metallofullerene Bingel-Hirsch adducts

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orcId Garcia Borràs, Marc​ researcherId Garcia Borràs, Marc​ scopusId Garcia Borràs, Marc​ ​
Garcia Borràs, Marc
orcId Osuna Oliveras, Sílvia​ researcherId Osuna Oliveras, Sílvia​ scopusId Osuna Oliveras, Sílvia​ ​
Osuna Oliveras, Sílvia
orcId Swart, Marcel​ researcherId Swart, Marcel​ scopusId Swart, Marcel​ ​
Swart, Marcel
orcId Luis Luis, Josep Maria​ researcherId Luis Luis, Josep Maria​ scopusId Luis Luis, Josep Maria​ ​
Luis Luis, Josep Maria
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Echegoyen, Luis A.
orcId Solà i Puig, Miquel​ researcherId Solà i Puig, Miquel​ scopusId Solà i Puig, Miquel​ ​
Solà i Puig, Miquel
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We have studied the relative stabilities of Bingel-Hirsch non-IPR endohedral metallofullerene monoadducts having one, two, or three adjacent pentagon pairs. The most stable addition always leads to an open adduct and never occurs on [5,5] bonds. Our results show that the thermodynamics of the addition is governed by the additive local aromaticity of the rings of the final adducts ​
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